1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one

C24H38N2O2 — CID 118662468

IUPAC1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one
SMILESCOC(C)(C)CCC(=O)N1CCC2(CCC(c3ccccc3)(N(C)C)CC2)C1
InChIInChI=1S/C24H38N2O2/c1-22(2,28-5)12-11-21(27)26-18-17-23(19-26)13-15-24(16-14-23,25(3)4)20-9-7-6-8-10-20/h6-10H,11-19H2,1-5H3
InChIKeyIUEOIJGZUMBUGL-UHFFFAOYSA-N
MW386.58 g/mol
LogP4.44
Rot. Bonds6

About 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one

1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one (PubChem CID 118662468) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one.

Molecular Properties

Compound Name1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one
PubChem CID118662468
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Name1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one
SMILESCOC(C)(C)CCC(=O)N1CCC2(CCC(c3ccccc3)(N(C)C)CC2)C1
InChIInChI=1S/C24H38N2O2/c1-22(2,28-5)12-11-21(27)26-18-17-23(19-26)13-15-24(16-14-23,25(3)4)20-9-7-6-8-10-20/h6-10H,11-19H2,1-5H3
InChIKeyIUEOIJGZUMBUGL-UHFFFAOYSA-N
XLogP4.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one
CID 118662087
2-(4-methoxy-4-methylpentyl)-N,N-dimethyl-8-phenyl-2-azaspiro[4.5]decan-8-amine
CID 118662045
[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 118662277
1-[8-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one
CID 118662068
3-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 118662153
1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-(oxolan-3-yl)ethanone
CID 118662319
[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone
CID 118662447
1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 118661979
1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one
CID 112534348
1-[8-benzyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 118666001
1-[3-[[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]methyl]azetidin-1-yl]ethanone
CID 118666504
8-(dimethylamino)-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-4-oxobutyl]-8-phenyl-2-azaspiro[4.5]decan-3-one
CID 130237595

Frequently Asked Questions

What is the IUPAC name of 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one?
The IUPAC name of 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one (CID 118662468) is 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one.
What is the SMILES notation for 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one?
The canonical SMILES for 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one is COC(C)(C)CCC(=O)N1CCC2(CCC(c3ccccc3)(N(C)C)CC2)C1.
What is the InChIKey of 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one?
The InChIKey is IUEOIJGZUMBUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O2/c1-22(2,28-5)12-11-21(27)26-18-17-23(19-26)13-15-24(16-14-23,25(3)4)20-9-7-6-8-10-20/h6-10H,11-19H2,1-5H3.
What are the key properties of 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one?
1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one has a molecular weight of 386.58 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one is sourced from PubChem (CID 118662468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).